Ethyl 3-(4-chloroanilino)but-2-enoate
TL;DR: Ethyl 3-(4-chloroanilino)but-2-enoate (CAS 66558-25-6) is a chemical compound with molecular formula C12H14ClNO2 and molecular weight 239.0713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(4-chloroanilino)but-2-enoate
Also Known As: ethyl 3-(4-chloroanilino)but-2-enoate, ethyl 3-(4-chloroanilino)crotonate, ethyl (E)-3-(4-chloroanilino)-2-butenoate, Ethyl 3-(4-Chlorophenylamino)but-2-enoate, 3-(p-Chloroanilino)crotonic acid ethyl ester
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14ClNO2 |
| Molecular Weight | 239.0713 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.0713 Da |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
| SMILES | CCOC(=O)C=C(C)NC1=CC=C(C=C1)Cl |
| InChIKey | XZLWEBJIBFUTCP-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-(4-chloroanilino)but-2-enoate
Property Insights of Ethyl 3-(4-chloroanilino)but-2-enoate
The XLogP value of 3.8 indicates that Ethyl 3-(4-chloroanilino)but-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 3-(4-chloroanilino)but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4-chloroanilino)but-2-enoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 3-(4-chloroanilino)but-2-enoate?
The CAS number of Ethyl 3-(4-chloroanilino)but-2-enoate is 66558-25-6.
What is the molecular formula of Ethyl 3-(4-chloroanilino)but-2-enoate?
The molecular formula of Ethyl 3-(4-chloroanilino)but-2-enoate is C12H14ClNO2.
What is the molecular weight of Ethyl 3-(4-chloroanilino)but-2-enoate?
The molecular weight of Ethyl 3-(4-chloroanilino)but-2-enoate is 239.0713 g/mol.
Where can I buy Ethyl 3-(4-chloroanilino)but-2-enoate?
You can request a quote for Ethyl 3-(4-chloroanilino)but-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-(4-chloroanilino)but-2-enoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-(4-chloroanilino)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.